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Dichlorprop
CAS: 120-36-5 | C9H8Cl2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
120-36-5
Molecular Formula:
C9H8Cl2O3
Molecular Mass:
235.07 g/mol
Names and Synonyms:
Dichlorprop
2,4-DP
Propanoic acid, 2-(2,4-dichlorophenoxy)-
Propionic acid, 2-(2,4-dichlorophenoxy)-
2-(2,4-Dichlorophenoxy)propanoic acid
Cornox RK
2-(2,4-Dichlorophenoxy)propionic acid
Dichloroprop
Dichlorprop
2-(2,4-DP)
α-(2,4-Dichlorophenoxy)propionic acid
Hedonal DP
Celatox DP
Herbizid DP
U 46DP Fluid
Diprop
Canapur DP
Dichlorprop acid
DCP
AF 302
(±)-2-(2,4-Dichlorophenoxy)propanoic acid
(±)-2-(2,4-Dichlorophenoxy)propionic acid
(±)-2,4-DP
(±)-Dichlorprop
NSC 39624
Dicopur DP
2,4-DCPPA
2,4-Dichlorprop
2,4-Dichlorophenoxypropionic acid
Identifiers:
SMILES:
CC(Oc1ccc(Cl)cc1Cl)C(=O)O
InChI:
InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13)
Key Properties
Melting Point
117.5-118.1 °C
CAS Common Chemistry
Density
1.42 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 235.07 g/mol | CAS Common Chemistry |
| 235.06599999999997 g/mol | RDKit | |
| 233.985049476 g/mol | RDKit | |
| Density | 1.42 g/cm³ | CAS Common Chemistry |
| 1.42 g/cm3 (approx) | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dichlorprop | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(OC1=CC=C(Cl)C=C1Cl)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H8Cl2O3/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11/h2-5H,1H3,(H,12,13) | CAS Common Chemistry |
| InChI Key | InChIKey=MZHCENGPTKEIGP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 117.5-118.1 °C | CAS Common Chemistry |
| Name | Dichlorprop | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 2.845300000000001 | RDKit |
| Molar Refractivity | 54.18780000000002 | RDKit |
